trans-(1R,4R)-4-(hydroxymethyl)-2,2-dimethyl-5-methylidenecyclopentan-1-ol

C9H16O2 — CID 131856950

IUPACtrans-(1R,4R)-4-(hydroxymethyl)-2,2-dimethyl-5-methylidenecyclopentan-1-ol
SMILESC=C1[C@H](CO)CC(C)(C)[C@H]1O
InChIInChI=1S/C9H16O2/c1-6-7(5-10)4-9(2,3)8(6)11/h7-8,10-11H,1,4-5H2,2-3H3/t7-,8-/m0/s1
InChIKeyHFKCESKCMFSRMZ-YUMQZZPRSA-N
MW156.22 g/mol
LogP0.94
Rot. Bonds1

About trans-(1R,4R)-4-(hydroxymethyl)-2,2-dimethyl-5-methylidenecyclopentan-1-ol

trans-(1R,4R)-4-(hydroxymethyl)-2,2-dimethyl-5-methylidenecyclopentan-1-ol (PubChem CID 131856950) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is trans-(1R,4R)-4-(hydroxymethyl)-2,2-dimethyl-5-methylidenecyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,4R)-4-(hydroxymethyl)-2,2-dimethyl-5-methylidenecyclopentan-1-ol
PubChem CID131856950
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Nametrans-(1R,4R)-4-(hydroxymethyl)-2,2-dimethyl-5-methylidenecyclopentan-1-ol
SMILESC=C1[C@H](CO)CC(C)(C)[C@H]1O
InChIInChI=1S/C9H16O2/c1-6-7(5-10)4-9(2,3)8(6)11/h7-8,10-11H,1,4-5H2,2-3H3/t7-,8-/m0/s1
InChIKeyHFKCESKCMFSRMZ-YUMQZZPRSA-N
XLogP0.94
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

trans-(1R,4R,5E)-4-(hydroxymethyl)-2,2-dimethyl-5-(trimethylsilylmethylidene)cyclopentan-1-ol
CID 101332586
cis-(1R,4R)-2,2,4-trimethyl-5-methylidenecyclopentan-1-ol
CID 134971752
4-(2,4-Dihydroxy-2,5,5-trimethylcyclopentylidene)but-3-en-2-ol
CID 15713909
5-(3-Hydroxypent-1-enylidene)-1,4,4-trimethylcyclopentane-1,3-diol
CID 15713910
5-(3-Hydroxyhex-1-enylidene)-1,4,4-trimethylcyclopentane-1,3-diol
CID 15713911
(1R,3R,4S)-4-methoxy-3-(methoxymethyl)-2-methylidenecyclopentan-1-ol
CID 58400395
trans-(1S,3R)-3-(hydroxymethyl)-2-methylidenecyclopentan-1-ol
CID 126590695
5-(Hydroxymethyl)-3,3-dimethyl-4-methylidenecyclopentane-1,2-diol
CID 132045540
3-(Hydroxymethyl)-2-methylidenecyclopentan-1-ol
CID 141212143
(1S,3R,4S)-2,2-dimethyl-4-prop-1-en-2-ylcyclopentane-1,3-diol
CID 10464738
3,5,5-Trimethyl-2-methylidenehexane-1,4-diol
CID 11819489
2,2,4-Trimethyl-5-methylidenecyclopentan-1-ol
CID 85797771

Frequently Asked Questions

What is the IUPAC name of trans-(1R,4R)-4-(hydroxymethyl)-2,2-dimethyl-5-methylidenecyclopentan-1-ol?
The IUPAC name of trans-(1R,4R)-4-(hydroxymethyl)-2,2-dimethyl-5-methylidenecyclopentan-1-ol (CID 131856950) is trans-(1R,4R)-4-(hydroxymethyl)-2,2-dimethyl-5-methylidenecyclopentan-1-ol.
What is the SMILES notation for trans-(1R,4R)-4-(hydroxymethyl)-2,2-dimethyl-5-methylidenecyclopentan-1-ol?
The canonical SMILES for trans-(1R,4R)-4-(hydroxymethyl)-2,2-dimethyl-5-methylidenecyclopentan-1-ol is C=C1[C@H](CO)CC(C)(C)[C@H]1O.
What is the InChIKey of trans-(1R,4R)-4-(hydroxymethyl)-2,2-dimethyl-5-methylidenecyclopentan-1-ol?
The InChIKey is HFKCESKCMFSRMZ-YUMQZZPRSA-N. The full InChI is InChI=1S/C9H16O2/c1-6-7(5-10)4-9(2,3)8(6)11/h7-8,10-11H,1,4-5H2,2-3H3/t7-,8-/m0/s1.
What are the key properties of trans-(1R,4R)-4-(hydroxymethyl)-2,2-dimethyl-5-methylidenecyclopentan-1-ol?
trans-(1R,4R)-4-(hydroxymethyl)-2,2-dimethyl-5-methylidenecyclopentan-1-ol has a molecular weight of 156.22 g/mol, XLogP of 0.94, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,4R)-4-(hydroxymethyl)-2,2-dimethyl-5-methylidenecyclopentan-1-ol is sourced from PubChem (CID 131856950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).