(1R,7E,11E)-1,11-dimethyl-4-propan-2-ylcyclotetradeca-2,7,11-trien-1-ol

C19H32O — CID 177482395

IUPAC(1R,7E,11E)-1,11-dimethyl-4-propan-2-ylcyclotetradeca-2,7,11-trien-1-ol
SMILESC/C1=C\CC[C@@](C)(O)C=CC(C(C)C)CC/C=C/CC1
InChIInChI=1S/C19H32O/c1-16(2)18-12-8-6-5-7-10-17(3)11-9-14-19(4,20)15-13-18/h5-6,11,13,15-16,18,20H,7-10,12,14H2,1-4H3/b6-5+,15-13?,17-11+/t18?,19-/m1/s1
InChIKeyFVUBLOUSCVALST-MMJVHJNESA-N
MW276.46 g/mol
LogP5.42
Rot. Bonds1

About (1R,7E,11E)-1,11-dimethyl-4-propan-2-ylcyclotetradeca-2,7,11-trien-1-ol

(1R,7E,11E)-1,11-dimethyl-4-propan-2-ylcyclotetradeca-2,7,11-trien-1-ol (PubChem CID 177482395) has the molecular formula C19H32O and a molecular weight of 276.46 g/mol. Its IUPAC name is (1R,7E,11E)-1,11-dimethyl-4-propan-2-ylcyclotetradeca-2,7,11-trien-1-ol.

Molecular Properties

Compound Name(1R,7E,11E)-1,11-dimethyl-4-propan-2-ylcyclotetradeca-2,7,11-trien-1-ol
PubChem CID177482395
Molecular FormulaC19H32O
Molecular Weight276.46 g/mol
Exact Mass276.25
IUPAC Name(1R,7E,11E)-1,11-dimethyl-4-propan-2-ylcyclotetradeca-2,7,11-trien-1-ol
SMILESC/C1=C\CC[C@@](C)(O)C=CC(C(C)C)CC/C=C/CC1
InChIInChI=1S/C19H32O/c1-16(2)18-12-8-6-5-7-10-17(3)11-9-14-19(4,20)15-13-18/h5-6,11,13,15-16,18,20H,7-10,12,14H2,1-4H3/b6-5+,15-13?,17-11+/t18?,19-/m1/s1
InChIKeyFVUBLOUSCVALST-MMJVHJNESA-N
XLogP5.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.46
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1R,7E,11E)-1,11-dimethyl-4-propan-2-ylcyclotetradeca-2,7,11-trien-1-ol with MolForge

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Launch Full Analysis

Related Compounds

(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
(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
(1S,2E,4R,7E)-1,7-dimethyl-4-propan-2-ylcyclodeca-2,7-dien-1-ol
CID 162957245
(2E,6S,7E,9R,12E)-9-hydroxy-3,9,13-trimethyl-6-propan-2-ylcyclotetradeca-2,7,12-trien-1-one
CID 10756926
(1R,3R,4Z,8Z,12S,13Z)-1,5,9-trimethyl-12-propan-2-ylcyclotetradeca-4,8,13-triene-1,3-diol
CID 6440192
7-hydroxy-7,11-dimethyl-4-propan-2-yl-14-oxabicyclo[11.2.1]hexadeca-1(16),5,10-trien-15-one
CID 75239044
(1S,2E,4S,7E)-1,7-dimethyl-4-(6-methylhept-5-en-2-yl)cyclodeca-2,7-dien-1-ol
CID 162933798
(4S,5E,7S)-4-methyl-10-methylidene-7-propan-2-ylcyclodec-5-ene-1,4-diol
CID 177427018
[(1R,2R,4E,8R,9E,11S)-2,8-dihydroxy-1,4,8-trimethyl-11-propan-2-ylcyclotrideca-4,9-dien-1-yl]methyl acetate
CID 10021836

Frequently Asked Questions

What is the IUPAC name of (1R,7E,11E)-1,11-dimethyl-4-propan-2-ylcyclotetradeca-2,7,11-trien-1-ol?
The IUPAC name of (1R,7E,11E)-1,11-dimethyl-4-propan-2-ylcyclotetradeca-2,7,11-trien-1-ol (CID 177482395) is (1R,7E,11E)-1,11-dimethyl-4-propan-2-ylcyclotetradeca-2,7,11-trien-1-ol.
What is the SMILES notation for (1R,7E,11E)-1,11-dimethyl-4-propan-2-ylcyclotetradeca-2,7,11-trien-1-ol?
The canonical SMILES for (1R,7E,11E)-1,11-dimethyl-4-propan-2-ylcyclotetradeca-2,7,11-trien-1-ol is C/C1=C\CC[C@@](C)(O)C=CC(C(C)C)CC/C=C/CC1.
What is the InChIKey of (1R,7E,11E)-1,11-dimethyl-4-propan-2-ylcyclotetradeca-2,7,11-trien-1-ol?
The InChIKey is FVUBLOUSCVALST-MMJVHJNESA-N. The full InChI is InChI=1S/C19H32O/c1-16(2)18-12-8-6-5-7-10-17(3)11-9-14-19(4,20)15-13-18/h5-6,11,13,15-16,18,20H,7-10,12,14H2,1-4H3/b6-5+,15-13?,17-11+/t18?,19-/m1/s1.
What are the key properties of (1R,7E,11E)-1,11-dimethyl-4-propan-2-ylcyclotetradeca-2,7,11-trien-1-ol?
(1R,7E,11E)-1,11-dimethyl-4-propan-2-ylcyclotetradeca-2,7,11-trien-1-ol has a molecular weight of 276.46 g/mol, XLogP of 5.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,7E,11E)-1,11-dimethyl-4-propan-2-ylcyclotetradeca-2,7,11-trien-1-ol is sourced from PubChem (CID 177482395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).