1-cyclopropyl-11-(1-propylcyclopropyl)undecan-6-ol

C20H38O — CID 58080307

IUPAC1-cyclopropyl-11-(1-propylcyclopropyl)undecan-6-ol
SMILESCCCC1(CCCCCC(O)CCCCCC2CC2)CC1
InChIInChI=1S/C20H38O/c1-2-14-20(16-17-20)15-8-4-7-11-19(21)10-6-3-5-9-18-12-13-18/h18-19,21H,2-17H2,1H3
InChIKeyRBDPSTYGGYDJNU-UHFFFAOYSA-N
MW294.52 g/mol
LogP6.24
Rot. Bonds14

About 1-cyclopropyl-11-(1-propylcyclopropyl)undecan-6-ol

1-cyclopropyl-11-(1-propylcyclopropyl)undecan-6-ol (PubChem CID 58080307) has the molecular formula C20H38O and a molecular weight of 294.52 g/mol. Its IUPAC name is 1-cyclopropyl-11-(1-propylcyclopropyl)undecan-6-ol.

Molecular Properties

Compound Name1-cyclopropyl-11-(1-propylcyclopropyl)undecan-6-ol
PubChem CID58080307
Molecular FormulaC20H38O
Molecular Weight294.52 g/mol
Exact Mass294.29
IUPAC Name1-cyclopropyl-11-(1-propylcyclopropyl)undecan-6-ol
SMILESCCCC1(CCCCCC(O)CCCCCC2CC2)CC1
InChIInChI=1S/C20H38O/c1-2-14-20(16-17-20)15-8-4-7-11-19(21)10-6-3-5-9-18-12-13-18/h18-19,21H,2-17H2,1H3
InChIKeyRBDPSTYGGYDJNU-UHFFFAOYSA-N
XLogP6.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.52
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopropylundecan-3-ol
CID 115810831
1-(oxan-4-yl)undecan-5-ol
CID 114191725
1-cyclopentyldecan-3-ol
CID 115783211
1-cyclopentylheptan-4-ol
CID 64516527
1-ethyl-1-hexyl-4-(4-hexylcyclohexyl)cyclohexane
CID 18597123
1-[2-[4-(6-chlorohexyl)cyclohexyl]ethyl]-4-[2-(1-hexylcyclohexyl)ethyl]cyclohexane
CID 139720007
1-(1,2,2-trimethylcyclohexyl)octan-3-ol
CID 70289367
octadecane;pentadecylcyclopropane
CID 173301851
1-dodecyl-4-pentadecylcyclohexane
CID 123560684
octadecane-8,11-diol
CID 101412726
tetradecane;undecylcyclopropane
CID 173215670
1,4-dihexylcyclohexane
CID 22947938

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-11-(1-propylcyclopropyl)undecan-6-ol?
The IUPAC name of 1-cyclopropyl-11-(1-propylcyclopropyl)undecan-6-ol (CID 58080307) is 1-cyclopropyl-11-(1-propylcyclopropyl)undecan-6-ol.
What is the SMILES notation for 1-cyclopropyl-11-(1-propylcyclopropyl)undecan-6-ol?
The canonical SMILES for 1-cyclopropyl-11-(1-propylcyclopropyl)undecan-6-ol is CCCC1(CCCCCC(O)CCCCCC2CC2)CC1.
What is the InChIKey of 1-cyclopropyl-11-(1-propylcyclopropyl)undecan-6-ol?
The InChIKey is RBDPSTYGGYDJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O/c1-2-14-20(16-17-20)15-8-4-7-11-19(21)10-6-3-5-9-18-12-13-18/h18-19,21H,2-17H2,1H3.
What are the key properties of 1-cyclopropyl-11-(1-propylcyclopropyl)undecan-6-ol?
1-cyclopropyl-11-(1-propylcyclopropyl)undecan-6-ol has a molecular weight of 294.52 g/mol, XLogP of 6.24, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-11-(1-propylcyclopropyl)undecan-6-ol is sourced from PubChem (CID 58080307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).