2-[3-hydroxy-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid;1-(2-methoxyprop-2-enyl)-3-methyl-2-[(Z)-pent-2-enyl]cyclopentane

C27H46O4 — CID 90951221

IUPAC2-[3-hydroxy-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid;1-(2-methoxyprop-2-enyl)-3-methyl-2-[(Z)-pent-2-enyl]cyclopentane
SMILESC=C(CC1CCC(C)C1C/C=C\CC)OC.CC/C=C\CC1C(O)CCC1CC(=O)O
InChIInChI=1S/C15H26O.C12H20O3/c1-5-6-7-8-15-12(2)9-10-14(15)11-13(3)16-4;1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h6-7,12,14-15H,3,5,8-11H2,1-2,4H3;3-4,9-11,13H,2,5-8H2,1H3,(H,14,15)/b7-6-;4-3-
InChIKeyOSZCLUSOYKIIEF-BPMFRKFSSA-N
MW434.66 g/mol
LogP6.76
Rot. Bonds11

About 2-[3-hydroxy-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid;1-(2-methoxyprop-2-enyl)-3-methyl-2-[(Z)-pent-2-enyl]cyclopentane

2-[3-hydroxy-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid;1-(2-methoxyprop-2-enyl)-3-methyl-2-[(Z)-pent-2-enyl]cyclopentane (PubChem CID 90951221) has the molecular formula C27H46O4 and a molecular weight of 434.66 g/mol. Its IUPAC name is 2-[3-hydroxy-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid;1-(2-methoxyprop-2-enyl)-3-methyl-2-[(Z)-pent-2-enyl]cyclopentane.

Molecular Properties

Compound Name2-[3-hydroxy-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid;1-(2-methoxyprop-2-enyl)-3-methyl-2-[(Z)-pent-2-enyl]cyclopentane
PubChem CID90951221
Molecular FormulaC27H46O4
Molecular Weight434.66 g/mol
Exact Mass434.34
IUPAC Name2-[3-hydroxy-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid;1-(2-methoxyprop-2-enyl)-3-methyl-2-[(Z)-pent-2-enyl]cyclopentane
SMILESC=C(CC1CCC(C)C1C/C=C\CC)OC.CC/C=C\CC1C(O)CCC1CC(=O)O
InChIInChI=1S/C15H26O.C12H20O3/c1-5-6-7-8-15-12(2)9-10-14(15)11-13(3)16-4;1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h6-7,12,14-15H,3,5,8-11H2,1-2,4H3;3-4,9-11,13H,2,5-8H2,1H3,(H,14,15)/b7-6-;4-3-
InChIKeyOSZCLUSOYKIIEF-BPMFRKFSSA-N
XLogP6.76
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.66
LogP ≤ 56.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(3-methyl-2-pent-2-enylcyclopentyl)acetate
CID 72593148
2-[3-methyl-2-[(Z)-pent-2-enyl]cyclopentyl]-1-piperidin-4-ylethanone
CID 155743321
methyl 2-[3-(hydroxyamino)-2-pent-2-enylcyclopentyl]acetate
CID 74005258
2-[(1S,2S,3S)-2-[(Z)-pent-2-enyl]-3-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclopentyl]acetic acid
CID 51694270
(E)-8-[(1S,2S,3R)-3-hydroxy-2-[(Z)-pent-2-enyl]cyclopentyl]oct-2-enoic acid
CID 11460613
2-[(2R)-3-hydroxy-2-pentylcyclopentyl]acetic acid
CID 129129516
2-[(1S,2R,5R)-2-ethyl-5-hydroxycyclopentyl]acetaldehyde
CID 88715600
Cyclopentaneacetic acid, 3-hydroxy-2-pentyl-, sodium salt (1:1)
CID 126511471
1-(2-ethyl-3-hydroxycyclopentyl)propan-2-one
CID 123791585
2,3-bis[8-(2-octylcyclopropyl)octoxy]propyl 2-[3-hydroxy-2-[(Z)-pent-2-enyl]cyclopentyl]acetate
CID 166495394
2-[(1R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid
CID 25245751
2-[(1R,2S)-3-oxo-2-pent-2-enylcyclopentyl]acetic acid
CID 7067458

Frequently Asked Questions

What is the IUPAC name of 2-[3-hydroxy-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid;1-(2-methoxyprop-2-enyl)-3-methyl-2-[(Z)-pent-2-enyl]cyclopentane?
The IUPAC name of 2-[3-hydroxy-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid;1-(2-methoxyprop-2-enyl)-3-methyl-2-[(Z)-pent-2-enyl]cyclopentane (CID 90951221) is 2-[3-hydroxy-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid;1-(2-methoxyprop-2-enyl)-3-methyl-2-[(Z)-pent-2-enyl]cyclopentane.
What is the SMILES notation for 2-[3-hydroxy-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid;1-(2-methoxyprop-2-enyl)-3-methyl-2-[(Z)-pent-2-enyl]cyclopentane?
The canonical SMILES for 2-[3-hydroxy-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid;1-(2-methoxyprop-2-enyl)-3-methyl-2-[(Z)-pent-2-enyl]cyclopentane is C=C(CC1CCC(C)C1C/C=C\CC)OC.CC/C=C\CC1C(O)CCC1CC(=O)O.
What is the InChIKey of 2-[3-hydroxy-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid;1-(2-methoxyprop-2-enyl)-3-methyl-2-[(Z)-pent-2-enyl]cyclopentane?
The InChIKey is OSZCLUSOYKIIEF-BPMFRKFSSA-N. The full InChI is InChI=1S/C15H26O.C12H20O3/c1-5-6-7-8-15-12(2)9-10-14(15)11-13(3)16-4;1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h6-7,12,14-15H,3,5,8-11H2,1-2,4H3;3-4,9-11,13H,2,5-8H2,1H3,(H,14,15)/b7-6-;4-3-.
What are the key properties of 2-[3-hydroxy-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid;1-(2-methoxyprop-2-enyl)-3-methyl-2-[(Z)-pent-2-enyl]cyclopentane?
2-[3-hydroxy-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid;1-(2-methoxyprop-2-enyl)-3-methyl-2-[(Z)-pent-2-enyl]cyclopentane has a molecular weight of 434.66 g/mol, XLogP of 6.76, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-hydroxy-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid;1-(2-methoxyprop-2-enyl)-3-methyl-2-[(Z)-pent-2-enyl]cyclopentane is sourced from PubChem (CID 90951221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).