(1S,2E,4S,7E)-1,7-dimethyl-4-(6-methylhept-5-en-2-yl)cyclodeca-2,7-dien-1-ol

C20H34O — CID 162933798

IUPAC(1S,2E,4S,7E)-1,7-dimethyl-4-(6-methylhept-5-en-2-yl)cyclodeca-2,7-dien-1-ol
SMILESCC(C)=CCCC(C)[C@H]1/C=C/[C@@](C)(O)CC/C=C(\C)CC1
InChIInChI=1S/C20H34O/c1-16(2)8-6-10-18(4)19-12-11-17(3)9-7-14-20(5,21)15-13-19/h8-9,13,15,18-19,21H,6-7,10-12,14H2,1-5H3/b15-13+,17-9+/t18?,19-,20+/m1/s1
InChIKeyQJEFVGHQTVXCQD-OBCIXNBSSA-N
MW290.49 g/mol
LogP5.81
Rot. Bonds4

About (1S,2E,4S,7E)-1,7-dimethyl-4-(6-methylhept-5-en-2-yl)cyclodeca-2,7-dien-1-ol

(1S,2E,4S,7E)-1,7-dimethyl-4-(6-methylhept-5-en-2-yl)cyclodeca-2,7-dien-1-ol (PubChem CID 162933798) has the molecular formula C20H34O and a molecular weight of 290.49 g/mol. Its IUPAC name is (1S,2E,4S,7E)-1,7-dimethyl-4-(6-methylhept-5-en-2-yl)cyclodeca-2,7-dien-1-ol.

Molecular Properties

Compound Name(1S,2E,4S,7E)-1,7-dimethyl-4-(6-methylhept-5-en-2-yl)cyclodeca-2,7-dien-1-ol
PubChem CID162933798
Molecular FormulaC20H34O
Molecular Weight290.49 g/mol
Exact Mass290.26
IUPAC Name(1S,2E,4S,7E)-1,7-dimethyl-4-(6-methylhept-5-en-2-yl)cyclodeca-2,7-dien-1-ol
SMILESCC(C)=CCCC(C)[C@H]1/C=C/[C@@](C)(O)CC/C=C(\C)CC1
InChIInChI=1S/C20H34O/c1-16(2)8-6-10-18(4)19-12-11-17(3)9-7-14-20(5,21)15-13-19/h8-9,13,15,18-19,21H,6-7,10-12,14H2,1-5H3/b15-13+,17-9+/t18?,19-,20+/m1/s1
InChIKeyQJEFVGHQTVXCQD-OBCIXNBSSA-N
XLogP5.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.49
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1S,2E,4S,7E)-1,7-dimethyl-4-(6-methylhept-5-en-2-yl)cyclodeca-2,7-dien-1-ol with MolForge

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Launch Full Analysis

Related Compounds

(1S,2E,4R,7E)-1,7-dimethyl-4-propan-2-ylcyclodeca-2,7-dien-1-ol
CID 162957245
(1S,2E,4S,7E)-1,7-dimethyl-4-propan-2-ylcyclodeca-2,7-dien-1-ol
CID 11148775
1,7-dimethyl-4-propan-2-ylcyclodeca-2,7-dien-1-ol
CID 522445
(7Z,11E)-1,7,11-trimethyl-4-propan-2-ylcyclotetradeca-2,7,11-trien-1-ol
CID 161449094
1,7,11-trimethyl-4-propan-2-ylcyclotetradeca-2,7,11-trien-1-ol
CID 520190
(1S,2E,4S,7E,11E)-1,7,11-trimethyl-4-propan-2-ylcyclotetradeca-2,7,11-trien-1-ol;(1R,2E,4S,7E,11E)-1,7,11-trimethyl-4-propan-2-ylcyclotetradeca-2,7,11-trien-1-ol
CID 163472628
(1R,7E,11E)-1,11-dimethyl-4-propan-2-ylcyclotetradeca-2,7,11-trien-1-ol
CID 177482395
(2E,6S,7E,9R,12E)-9-hydroxy-3,9,13-trimethyl-6-propan-2-ylcyclotetradeca-2,7,12-trien-1-one
CID 10756926
(3R)-3-[(2R)-6-methylhept-5-en-2-yl]-6-methylidenecyclohexene
CID 102426665
(3S)-3-[(2R)-6-methylhept-5-en-2-yl]-6-methylidenecyclohexene
CID 11106487
(1R,3R,4Z,8Z,12S,13Z)-1,5,9-trimethyl-12-propan-2-ylcyclotetradeca-4,8,13-triene-1,3-diol
CID 6440192
1,6-dimethyl-4-(6-methylhept-5-en-2-yl)-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol
CID 14707361

Frequently Asked Questions

What is the IUPAC name of (1S,2E,4S,7E)-1,7-dimethyl-4-(6-methylhept-5-en-2-yl)cyclodeca-2,7-dien-1-ol?
The IUPAC name of (1S,2E,4S,7E)-1,7-dimethyl-4-(6-methylhept-5-en-2-yl)cyclodeca-2,7-dien-1-ol (CID 162933798) is (1S,2E,4S,7E)-1,7-dimethyl-4-(6-methylhept-5-en-2-yl)cyclodeca-2,7-dien-1-ol.
What is the SMILES notation for (1S,2E,4S,7E)-1,7-dimethyl-4-(6-methylhept-5-en-2-yl)cyclodeca-2,7-dien-1-ol?
The canonical SMILES for (1S,2E,4S,7E)-1,7-dimethyl-4-(6-methylhept-5-en-2-yl)cyclodeca-2,7-dien-1-ol is CC(C)=CCCC(C)[C@H]1/C=C/[C@@](C)(O)CC/C=C(\C)CC1.
What is the InChIKey of (1S,2E,4S,7E)-1,7-dimethyl-4-(6-methylhept-5-en-2-yl)cyclodeca-2,7-dien-1-ol?
The InChIKey is QJEFVGHQTVXCQD-OBCIXNBSSA-N. The full InChI is InChI=1S/C20H34O/c1-16(2)8-6-10-18(4)19-12-11-17(3)9-7-14-20(5,21)15-13-19/h8-9,13,15,18-19,21H,6-7,10-12,14H2,1-5H3/b15-13+,17-9+/t18?,19-,20+/m1/s1.
What are the key properties of (1S,2E,4S,7E)-1,7-dimethyl-4-(6-methylhept-5-en-2-yl)cyclodeca-2,7-dien-1-ol?
(1S,2E,4S,7E)-1,7-dimethyl-4-(6-methylhept-5-en-2-yl)cyclodeca-2,7-dien-1-ol has a molecular weight of 290.49 g/mol, XLogP of 5.81, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2E,4S,7E)-1,7-dimethyl-4-(6-methylhept-5-en-2-yl)cyclodeca-2,7-dien-1-ol is sourced from PubChem (CID 162933798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).