(S)-[(5S)-2-(methoxymethyl)-5-prop-1-en-2-ylcyclopenten-1-yl]-[(1S,3R)-1-methyl-2-methylidene-3-propan-2-ylcyclopentyl]methanol

C21H34O2 — CID 11012599

IUPAC(S)-[(5S)-2-(methoxymethyl)-5-prop-1-en-2-ylcyclopenten-1-yl]-[(1S,3R)-1-methyl-2-methylidene-3-propan-2-ylcyclopentyl]methanol
SMILESC=C(C)[C@@H]1CCC(COC)=C1[C@@H](O)[C@@]1(C)CC[C@H](C(C)C)C1=C
InChIInChI=1S/C21H34O2/c1-13(2)17-10-11-21(6,15(17)5)20(22)19-16(12-23-7)8-9-18(19)14(3)4/h13,17-18,20,22H,3,5,8-12H2,1-2,4,6-7H3/t17-,18+,20-,21+/m1/s1
InChIKeyCKYADHPCKMPPSA-JYRKZWEQSA-N
MW318.50 g/mol
LogP4.90
Rot. Bonds6

About (S)-[(5S)-2-(methoxymethyl)-5-prop-1-en-2-ylcyclopenten-1-yl]-[(1S,3R)-1-methyl-2-methylidene-3-propan-2-ylcyclopentyl]methanol

(S)-[(5S)-2-(methoxymethyl)-5-prop-1-en-2-ylcyclopenten-1-yl]-[(1S,3R)-1-methyl-2-methylidene-3-propan-2-ylcyclopentyl]methanol (PubChem CID 11012599) has the molecular formula C21H34O2 and a molecular weight of 318.50 g/mol. Its IUPAC name is (S)-[(5S)-2-(methoxymethyl)-5-prop-1-en-2-ylcyclopenten-1-yl]-[(1S,3R)-1-methyl-2-methylidene-3-propan-2-ylcyclopentyl]methanol.

Molecular Properties

Compound Name(S)-[(5S)-2-(methoxymethyl)-5-prop-1-en-2-ylcyclopenten-1-yl]-[(1S,3R)-1-methyl-2-methylidene-3-propan-2-ylcyclopentyl]methanol
PubChem CID11012599
Molecular FormulaC21H34O2
Molecular Weight318.50 g/mol
Exact Mass318.26
IUPAC Name(S)-[(5S)-2-(methoxymethyl)-5-prop-1-en-2-ylcyclopenten-1-yl]-[(1S,3R)-1-methyl-2-methylidene-3-propan-2-ylcyclopentyl]methanol
SMILESC=C(C)[C@@H]1CCC(COC)=C1[C@@H](O)[C@@]1(C)CC[C@H](C(C)C)C1=C
InChIInChI=1S/C21H34O2/c1-13(2)17-10-11-21(6,15(17)5)20(22)19-16(12-23-7)8-9-18(19)14(3)4/h13,17-18,20,22H,3,5,8-12H2,1-2,4,6-7H3/t17-,18+,20-,21+/m1/s1
InChIKeyCKYADHPCKMPPSA-JYRKZWEQSA-N
XLogP4.90
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.50
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (S)-[(5S)-2-(methoxymethyl)-5-prop-1-en-2-ylcyclopenten-1-yl]-[(1S,3R)-1-methyl-2-methylidene-3-propan-2-ylcyclopentyl]methanol?
The IUPAC name of (S)-[(5S)-2-(methoxymethyl)-5-prop-1-en-2-ylcyclopenten-1-yl]-[(1S,3R)-1-methyl-2-methylidene-3-propan-2-ylcyclopentyl]methanol (CID 11012599) is (S)-[(5S)-2-(methoxymethyl)-5-prop-1-en-2-ylcyclopenten-1-yl]-[(1S,3R)-1-methyl-2-methylidene-3-propan-2-ylcyclopentyl]methanol.
What is the SMILES notation for (S)-[(5S)-2-(methoxymethyl)-5-prop-1-en-2-ylcyclopenten-1-yl]-[(1S,3R)-1-methyl-2-methylidene-3-propan-2-ylcyclopentyl]methanol?
The canonical SMILES for (S)-[(5S)-2-(methoxymethyl)-5-prop-1-en-2-ylcyclopenten-1-yl]-[(1S,3R)-1-methyl-2-methylidene-3-propan-2-ylcyclopentyl]methanol is C=C(C)[C@@H]1CCC(COC)=C1[C@@H](O)[C@@]1(C)CC[C@H](C(C)C)C1=C.
What is the InChIKey of (S)-[(5S)-2-(methoxymethyl)-5-prop-1-en-2-ylcyclopenten-1-yl]-[(1S,3R)-1-methyl-2-methylidene-3-propan-2-ylcyclopentyl]methanol?
The InChIKey is CKYADHPCKMPPSA-JYRKZWEQSA-N. The full InChI is InChI=1S/C21H34O2/c1-13(2)17-10-11-21(6,15(17)5)20(22)19-16(12-23-7)8-9-18(19)14(3)4/h13,17-18,20,22H,3,5,8-12H2,1-2,4,6-7H3/t17-,18+,20-,21+/m1/s1.
What are the key properties of (S)-[(5S)-2-(methoxymethyl)-5-prop-1-en-2-ylcyclopenten-1-yl]-[(1S,3R)-1-methyl-2-methylidene-3-propan-2-ylcyclopentyl]methanol?
(S)-[(5S)-2-(methoxymethyl)-5-prop-1-en-2-ylcyclopenten-1-yl]-[(1S,3R)-1-methyl-2-methylidene-3-propan-2-ylcyclopentyl]methanol has a molecular weight of 318.50 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[(5S)-2-(methoxymethyl)-5-prop-1-en-2-ylcyclopenten-1-yl]-[(1S,3R)-1-methyl-2-methylidene-3-propan-2-ylcyclopentyl]methanol is sourced from PubChem (CID 11012599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).