cis-(1R,4R)-2,2,4-trimethyl-5-methylidenecyclopentan-1-ol

C9H16O — CID 134971752

IUPACcis-(1R,4R)-2,2,4-trimethyl-5-methylidenecyclopentan-1-ol
SMILESC=C1[C@H](C)CC(C)(C)[C@H]1O
InChIInChI=1S/C9H16O/c1-6-5-9(3,4)8(10)7(6)2/h6,8,10H,2,5H2,1,3-4H3/t6-,8+/m1/s1
InChIKeyPHPLNOWPDPORHD-SVRRBLITSA-N
MW140.23 g/mol
LogP1.97
Rot. Bonds

About cis-(1R,4R)-2,2,4-trimethyl-5-methylidenecyclopentan-1-ol

cis-(1R,4R)-2,2,4-trimethyl-5-methylidenecyclopentan-1-ol (PubChem CID 134971752) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is cis-(1R,4R)-2,2,4-trimethyl-5-methylidenecyclopentan-1-ol.

Molecular Properties

Compound Namecis-(1R,4R)-2,2,4-trimethyl-5-methylidenecyclopentan-1-ol
PubChem CID134971752
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Namecis-(1R,4R)-2,2,4-trimethyl-5-methylidenecyclopentan-1-ol
SMILESC=C1[C@H](C)CC(C)(C)[C@H]1O
InChIInChI=1S/C9H16O/c1-6-5-9(3,4)8(10)7(6)2/h6,8,10H,2,5H2,1,3-4H3/t6-,8+/m1/s1
InChIKeyPHPLNOWPDPORHD-SVRRBLITSA-N
XLogP1.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Hexanol, 3,5,5-trimethyl-2-methylene-
CID 107076
(1,3-Dimethyl-2-methylene-cyclopentyl)-methanol
CID 572858
(1S,2S,4S)-2-(fluoromethyl)-2-(hydroxymethyl)-4-methyl-3-methylidenecyclopentan-1-ol
CID 162713264
trans-(1R,2S)-4,4-dimethyl-2-prop-1-en-2-ylcyclopentan-1-ol
CID 11084100
1-(4,4-Dimethyl-2-methylidenecyclopentyl)hexan-1-ol
CID 134906309
(1R,2S,4R)-2-[(1R)-1-hydroxypropyl]-2-methyl-4-prop-1-en-2-ylcyclopentan-1-ol
CID 139125528
(5E)-5-ethylidene-2,2-dimethylcyclopentan-1-ol
CID 10374541
2,2-Dimethyl-4-methylidenecyclopentan-1-ol
CID 14972929
2,2-Dimethyl-3-prop-1-en-2-ylcyclopentan-1-ol
CID 57070767
2-Methyl-1-(2,2,3-trimethylcyclopentyl)prop-2-en-1-ol
CID 67402911
2-Methyl-1-(1-methylcyclopentyl)prop-2-en-1-ol
CID 115817453
2,2-Dimethyl-3-methylidenecyclopentan-1-ol
CID 117809256

Frequently Asked Questions

What is the IUPAC name of cis-(1R,4R)-2,2,4-trimethyl-5-methylidenecyclopentan-1-ol?
The IUPAC name of cis-(1R,4R)-2,2,4-trimethyl-5-methylidenecyclopentan-1-ol (CID 134971752) is cis-(1R,4R)-2,2,4-trimethyl-5-methylidenecyclopentan-1-ol.
What is the SMILES notation for cis-(1R,4R)-2,2,4-trimethyl-5-methylidenecyclopentan-1-ol?
The canonical SMILES for cis-(1R,4R)-2,2,4-trimethyl-5-methylidenecyclopentan-1-ol is C=C1[C@H](C)CC(C)(C)[C@H]1O.
What is the InChIKey of cis-(1R,4R)-2,2,4-trimethyl-5-methylidenecyclopentan-1-ol?
The InChIKey is PHPLNOWPDPORHD-SVRRBLITSA-N. The full InChI is InChI=1S/C9H16O/c1-6-5-9(3,4)8(10)7(6)2/h6,8,10H,2,5H2,1,3-4H3/t6-,8+/m1/s1.
What are the key properties of cis-(1R,4R)-2,2,4-trimethyl-5-methylidenecyclopentan-1-ol?
cis-(1R,4R)-2,2,4-trimethyl-5-methylidenecyclopentan-1-ol has a molecular weight of 140.23 g/mol, XLogP of 1.97, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,4R)-2,2,4-trimethyl-5-methylidenecyclopentan-1-ol is sourced from PubChem (CID 134971752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).