cis-(1S,3R)-2,2-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4-methylidenecyclohexan-1-ol

C15H26O3 — CID 11196116

IUPACcis-(1S,3R)-2,2-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4-methylidenecyclohexan-1-ol
SMILESC=C1CC[C@H](O)C(C)(C)[C@@H]1CCC1(C)OCCO1
InChIInChI=1S/C15H26O3/c1-11-5-6-13(16)14(2,3)12(11)7-8-15(4)17-9-10-18-15/h12-13,16H,1,5-10H2,2-4H3/t12-,13+/m1/s1
InChIKeyWWIAOGXZYFHMPU-OLZOCXBDSA-N
MW254.37 g/mol
LogP2.88
Rot. Bonds3

About cis-(1S,3R)-2,2-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4-methylidenecyclohexan-1-ol

cis-(1S,3R)-2,2-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4-methylidenecyclohexan-1-ol (PubChem CID 11196116) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is cis-(1S,3R)-2,2-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4-methylidenecyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1S,3R)-2,2-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4-methylidenecyclohexan-1-ol
PubChem CID11196116
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Namecis-(1S,3R)-2,2-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4-methylidenecyclohexan-1-ol
SMILESC=C1CC[C@H](O)C(C)(C)[C@@H]1CCC1(C)OCCO1
InChIInChI=1S/C15H26O3/c1-11-5-6-13(16)14(2,3)12(11)7-8-15(4)17-9-10-18-15/h12-13,16H,1,5-10H2,2-4H3/t12-,13+/m1/s1
InChIKeyWWIAOGXZYFHMPU-OLZOCXBDSA-N
XLogP2.88
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-2,2-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4-methylidenecyclohexan-1-ol?
The IUPAC name of cis-(1S,3R)-2,2-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4-methylidenecyclohexan-1-ol (CID 11196116) is cis-(1S,3R)-2,2-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4-methylidenecyclohexan-1-ol.
What is the SMILES notation for cis-(1S,3R)-2,2-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4-methylidenecyclohexan-1-ol?
The canonical SMILES for cis-(1S,3R)-2,2-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4-methylidenecyclohexan-1-ol is C=C1CC[C@H](O)C(C)(C)[C@@H]1CCC1(C)OCCO1.
What is the InChIKey of cis-(1S,3R)-2,2-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4-methylidenecyclohexan-1-ol?
The InChIKey is WWIAOGXZYFHMPU-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H26O3/c1-11-5-6-13(16)14(2,3)12(11)7-8-15(4)17-9-10-18-15/h12-13,16H,1,5-10H2,2-4H3/t12-,13+/m1/s1.
What are the key properties of cis-(1S,3R)-2,2-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4-methylidenecyclohexan-1-ol?
cis-(1S,3R)-2,2-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4-methylidenecyclohexan-1-ol has a molecular weight of 254.37 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-2,2-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4-methylidenecyclohexan-1-ol is sourced from PubChem (CID 11196116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).