(3S)-3-[(Z)-4-(methoxymethoxy)-3-methylbut-2-enyl]-1-(1-methoxyprop-1-en-2-yl)-3-methylcyclopentene

C17H28O3 — CID 134945851

IUPAC(3S)-3-[(Z)-4-(methoxymethoxy)-3-methylbut-2-enyl]-1-(1-methoxyprop-1-en-2-yl)-3-methylcyclopentene
SMILESCOC=C(C)C1=C[C@](C)(C/C=C(/C)COCOC)CC1
InChIInChI=1S/C17H28O3/c1-14(11-20-13-19-5)6-8-17(3)9-7-16(10-17)15(2)12-18-4/h6,10,12H,7-9,11,13H2,1-5H3/b14-6-,15-12?/t17-/m1/s1
InChIKeyCWEBUSSVWVVSED-XGTLLVCVSA-N
MW280.41 g/mol
LogP4.22
Rot. Bonds8

About (3S)-3-[(Z)-4-(methoxymethoxy)-3-methylbut-2-enyl]-1-(1-methoxyprop-1-en-2-yl)-3-methylcyclopentene

(3S)-3-[(Z)-4-(methoxymethoxy)-3-methylbut-2-enyl]-1-(1-methoxyprop-1-en-2-yl)-3-methylcyclopentene (PubChem CID 134945851) has the molecular formula C17H28O3 and a molecular weight of 280.41 g/mol. Its IUPAC name is (3S)-3-[(Z)-4-(methoxymethoxy)-3-methylbut-2-enyl]-1-(1-methoxyprop-1-en-2-yl)-3-methylcyclopentene.

Molecular Properties

Compound Name(3S)-3-[(Z)-4-(methoxymethoxy)-3-methylbut-2-enyl]-1-(1-methoxyprop-1-en-2-yl)-3-methylcyclopentene
PubChem CID134945851
Molecular FormulaC17H28O3
Molecular Weight280.41 g/mol
Exact Mass280.20
IUPAC Name(3S)-3-[(Z)-4-(methoxymethoxy)-3-methylbut-2-enyl]-1-(1-methoxyprop-1-en-2-yl)-3-methylcyclopentene
SMILESCOC=C(C)C1=C[C@](C)(C/C=C(/C)COCOC)CC1
InChIInChI=1S/C17H28O3/c1-14(11-20-13-19-5)6-8-17(3)9-7-16(10-17)15(2)12-18-4/h6,10,12H,7-9,11,13H2,1-5H3/b14-6-,15-12?/t17-/m1/s1
InChIKeyCWEBUSSVWVVSED-XGTLLVCVSA-N
XLogP4.22
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(Z)-4-(methoxymethoxy)-3-methylbut-2-enyl]-1-(1-methoxyprop-1-en-2-yl)-3-methylcyclopentene?
The IUPAC name of (3S)-3-[(Z)-4-(methoxymethoxy)-3-methylbut-2-enyl]-1-(1-methoxyprop-1-en-2-yl)-3-methylcyclopentene (CID 134945851) is (3S)-3-[(Z)-4-(methoxymethoxy)-3-methylbut-2-enyl]-1-(1-methoxyprop-1-en-2-yl)-3-methylcyclopentene.
What is the SMILES notation for (3S)-3-[(Z)-4-(methoxymethoxy)-3-methylbut-2-enyl]-1-(1-methoxyprop-1-en-2-yl)-3-methylcyclopentene?
The canonical SMILES for (3S)-3-[(Z)-4-(methoxymethoxy)-3-methylbut-2-enyl]-1-(1-methoxyprop-1-en-2-yl)-3-methylcyclopentene is COC=C(C)C1=C[C@](C)(C/C=C(/C)COCOC)CC1.
What is the InChIKey of (3S)-3-[(Z)-4-(methoxymethoxy)-3-methylbut-2-enyl]-1-(1-methoxyprop-1-en-2-yl)-3-methylcyclopentene?
The InChIKey is CWEBUSSVWVVSED-XGTLLVCVSA-N. The full InChI is InChI=1S/C17H28O3/c1-14(11-20-13-19-5)6-8-17(3)9-7-16(10-17)15(2)12-18-4/h6,10,12H,7-9,11,13H2,1-5H3/b14-6-,15-12?/t17-/m1/s1.
What are the key properties of (3S)-3-[(Z)-4-(methoxymethoxy)-3-methylbut-2-enyl]-1-(1-methoxyprop-1-en-2-yl)-3-methylcyclopentene?
(3S)-3-[(Z)-4-(methoxymethoxy)-3-methylbut-2-enyl]-1-(1-methoxyprop-1-en-2-yl)-3-methylcyclopentene has a molecular weight of 280.41 g/mol, XLogP of 4.22, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(Z)-4-(methoxymethoxy)-3-methylbut-2-enyl]-1-(1-methoxyprop-1-en-2-yl)-3-methylcyclopentene is sourced from PubChem (CID 134945851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).